[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20BrF3O5 MolecularWeight: 561.34391

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C27H20BrF3O5/c1-26(2,3)16-6-10-18(11-7-16)34-23-22(32)20-13-12-19(14-21(20)36-24(23)27(29,30)31)35-25(33)15-4-8-17(28)9-5-15/h4-14H,1-3H3